Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

31 – 45 of 622 results

2,4-Difluoro-5-nitrobenzoic acid, 97%

CAS: 153775-33-8 Molecular Formula: C7H2F2NO4 Molecular Weight (g/mol): 202.09 MDL Number: MFCD04115713 InChI Key: MDFSGDMPHMKKGB-UHFFFAOYSA-M PubChem CID: 2782822 IUPAC Name: 2,4-difluoro-5-nitrobenzoate SMILES: [O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O

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PubChem CID	2782822
CAS	153775-33-8
Molecular Weight (g/mol)	202.09
MDL Number	MFCD04115713
SMILES	[O-]C(=O)C1=CC(=C(F)C=C1F)[N+]([O-])=O
IUPAC Name	2,4-difluoro-5-nitrobenzoate
InChI Key	MDFSGDMPHMKKGB-UHFFFAOYSA-M
Molecular Formula	C7H2F2NO4

Methyl 4-chloro-3-nitrobenzoate, 98%

CAS: 14719-83-6 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00016989 InChI Key: XRTKWPWDSUNLHS-UHFFFAOYSA-N Synonym: methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate PubChem CID: 735797 IUPAC Name: methyl 4-chloro-3-nitrobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O

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PubChem CID	735797
CAS	14719-83-6
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00016989
SMILES	COC(=O)C1=CC=C(Cl)C(=C1)[N+]([O-])=O
Synonym	methyl 4-chloro-3-nitrobenzate,4-chloro-3-nitrobenzoic acid methyl ester,methyl-4-chloro-3-nitrobenzoate,benzoic acid, 4-chloro-3-nitro-, methyl ester,acmc-209cya,methyl-3-nitro-4-chlorobenzoate,methyl 3-nitro-4-chlorobenzoate,xrtkwpwdsunlhs-uhfffaoysa,methyl 4-chloro-3-nitro-benzoate,methyl4-chloro-3-nitrobenzoate
IUPAC Name	methyl 4-chloro-3-nitrobenzoate
InChI Key	XRTKWPWDSUNLHS-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

2-Chloro-4-nitrobenzoic acid, 98%

CAS: 99-60-5 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007209 InChI Key: QAYNSPOKTRVZRC-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde PubChem CID: 7448 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O

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PubChem CID	7448
CAS	99-60-5
Molecular Weight (g/mol)	201.57
MDL Number	MFCD00007209
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
Synonym	2-chloro-4-nitrobenzoic acid,benzoic acid, 2-chloro-4-nitro,kyselina 2-chloro-4-nitrobenzoova,kyselina 2-chloro-4-nitrobenzoova czech,2-chloro-4-nitrobenzoic,2-chloro-4-nitro-benzoic acid,2-chloro-4-nitro benzoic acid,2-chloro-4-nitrobenzoicacid,pubchem20257,acmc-209sde
InChI Key	QAYNSPOKTRVZRC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

Methyl 5-fluoro-2-nitrobenzoate, 98%

CAS: 393-85-1 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD03425619 InChI Key: LCAUVFVOLNRVKG-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester PubChem CID: 5152049 IUPAC Name: methyl 5-fluoro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O

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PubChem CID	5152049
CAS	393-85-1
Molecular Weight (g/mol)	199.14
MDL Number	MFCD03425619
SMILES	COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O
Synonym	2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester
IUPAC Name	methyl 5-fluoro-2-nitrobenzoate
InChI Key	LCAUVFVOLNRVKG-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

3-Hydroxy-4-nitrobenzoic acid, 98%

CAS: 619-14-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00007110 InChI Key: XLDLRRGZWIEEHT-UHFFFAOYSA-N Synonym: 3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid PubChem CID: 69265 IUPAC Name: 3-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O

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PubChem CID	69265
CAS	619-14-7
Molecular Weight (g/mol)	183.12
MDL Number	MFCD00007110
SMILES	OC(=O)C1=CC=C(C(O)=C1)[N+]([O-])=O
Synonym	3-hydroxy-4-nitrobenzoic acid,3-hydroxy-4-nitro-benzoic acid,4-nitro-3-hydroxybenzoic acid,benzoic acid, 3-hydroxy-4-nitro,3-hydroxy-4-nitrobenzoicacid,pubchem17135,acmc-209mxi,3-hydroxy4nitrobenzoic acid,ksc356q8j,3-hydroxy-4-nitro benzoic acid
IUPAC Name	3-hydroxy-4-nitrobenzoic acid
InChI Key	XLDLRRGZWIEEHT-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

2-Amino-3-nitrobenzoic acid, 97%, Thermo Scientific Chemicals

CAS: 606-18-8 Molecular Formula: C₇H₆N₂O₄ Molecular Weight (g/mol): 182.13 InChI Key: JJPIVRWTAGQTPQ-UHFFFAOYSA-N Synonym: 2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline PubChem CID: 219633 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

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PubChem CID	219633
CAS	606-18-8
Molecular Weight (g/mol)	182.13
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O
Synonym	2-amino-3-nitrobenzoic acid,3-nitroanthranilic acid,benzoic acid, 2-amino-3-nitro,2-amino-3-nitrobenzonic acid,2-amino-3-nitro-benzoic acid,2-amino-3-nitro benzoic acid,pubchem2233,amino-3-nitrobenzoic acid,2-amino-nitro-benzoesaure,2-carboxy-6-nitroaniline
InChI Key	JJPIVRWTAGQTPQ-UHFFFAOYSA-N
Molecular Formula	C₇H₆N₂O₄

Methyl 2-chloro-4-nitrobenzoate, 98%

CAS: 13324-11-3 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.59 MDL Number: MFCD00017013 InChI Key: PICNSXCJRMYANX-UHFFFAOYSA-N Synonym: 2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester PubChem CID: 83343 IUPAC Name: methyl 2-chloro-4-nitrobenzoate SMILES: COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O

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PubChem CID	83343
CAS	13324-11-3
Molecular Weight (g/mol)	215.59
MDL Number	MFCD00017013
SMILES	COC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
Synonym	2-chloro-4-nitrobenzoic acid methyl ester,methyl2-chloro-4-nitrobenzoate,4-nitro-2-chlorobenzoic acid methyl ester,2-chloro-4-nitro-benzoic acid methyl ester,benzoic acid, 2-chloro-4-nitro-, methyl ester,maybridge1_005088,acmc-1c12v,methyl-2-chloro-4-nitrobenzoate,methyl-4-nitro-2-chlorobenzoate,2-chloro-4-nitrobenzoic acid methylester
IUPAC Name	methyl 2-chloro-4-nitrobenzoate
InChI Key	PICNSXCJRMYANX-UHFFFAOYSA-N
Molecular Formula	C8H6ClNO4

2-Fluoro-4-nitrobenzoic acid, 98%

CAS: 403-24-7 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00275565 InChI Key: MMWFMFZFCKADEL-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure PubChem CID: 302679 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

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PubChem CID	302679
CAS	403-24-7
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00275565
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
Synonym	2-fluoro-4-nitrobenzoic acid,2-fluoro-4-nitrobenzenecarboxylic acid,2-fluoro-4-nitrobenzoicacid,2-fluoro-4-nitro-benzoic acid,4-carboxy-3-fluoronitrobenzene,benzoic acid, 2-fluoro-4-nitro,pubchem1310,acmc-1cts9,2-fluoro4-nitrobenzoic acid,2-fluor-4-nitro-benzoesaure
InChI Key	MMWFMFZFCKADEL-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

3-Nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 328-80-3 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00024509 InChI Key: ODCLHXGXGFBBTA-UHFFFAOYSA-N Synonym: 3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012 PubChem CID: 616602 SMILES: C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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PubChem CID	616602
CAS	328-80-3
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00024509
SMILES	C1=C(C=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	3-nitro-5-trifluoromethyl benzoic acid,3-nitro-5-trifluoromethylbenzoic acid,3-trifluoromethyl-5-nitrobenzoic acid,3-carboxy-5-nitrobenzotrifluoride,3-nitro-5 trifluoromethyl benzoic acid,benzoic acid, 3-nitro-5-trifluoromethyl,pubchem4544,acmc-1cr4t,rarechem al bo 1012
InChI Key	ODCLHXGXGFBBTA-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

3-Nitrosalicylic acid, 98%

CAS: 85-38-1 Molecular Formula: C₇H₅NO₅ Molecular Weight (g/mol): 183.12 InChI Key: WWWFHFGUOIQNJC-UHFFFAOYSA-N Synonym: 3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q PubChem CID: 6807 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O

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PubChem CID	6807
CAS	85-38-1
Molecular Weight (g/mol)	183.12
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)O
Synonym	3-nitrosalicylic acid,2-hydroxy-3-nitrobenzoic acid,benzoic acid, 2-hydroxy-3-nitro,salicylic acid, 3-nitro,2-hydroxy-3-nitro-benzoic acid,3-nitro-salicylsaure,3-nitrosalicyclic acid,wln: wnr bq cvq,acmc-209q5q
InChI Key	WWWFHFGUOIQNJC-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₅

Methyl 4-amino-3-nitrobenzoate, 97%

CAS: 3987-92-6 Molecular Formula: C8H8N2O4 Molecular Weight (g/mol): 196.162 MDL Number: MFCD00017562 InChI Key: HNTLUEZVPLRQEV-UHFFFAOYSA-N Synonym: methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j PubChem CID: 3941008 IUPAC Name: methyl 4-amino-3-nitrobenzoate SMILES: COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]

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PubChem CID	3941008
CAS	3987-92-6
Molecular Weight (g/mol)	196.162
MDL Number	MFCD00017562
SMILES	COC(=O)C1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym	methyl 4-amino-3-nitrobenzenecarboxylate,benzoic acid, 4-amino-3-nitro-, methyl ester,4-amino-3-nitro-benzoic acid methyl ester,4-methoxycarbonyl-2-nitroaniline,4-amino-3-nitromethylbenzoate,methyl 3-nitro-4-aminobenzoate,2-amino-5-methoxycarbonyl nitrobenzene,3-nitro-4-aminobenzoic acid methyl ester,4-amino-3-nitrobenzoicacidmethylester,acmc-209j8j
IUPAC Name	methyl 4-amino-3-nitrobenzoate
InChI Key	HNTLUEZVPLRQEV-UHFFFAOYSA-N
Molecular Formula	C8H8N2O4

2-Nitrobenzoic acid, 95%

CAS: 552-16-9 Molecular Formula: C₇H₅NO₄ Molecular Weight (g/mol): 167.12 MDL Number: MFCD00007137 InChI Key: SLAMLWHELXOEJZ-UHFFFAOYSA-N Synonym: 2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid PubChem CID: 11087 ChEBI: CHEBI:25620 SMILES: C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]

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PubChem CID	11087
CAS	552-16-9
Molecular Weight (g/mol)	167.12
ChEBI	CHEBI:25620
MDL Number	MFCD00007137
SMILES	C1=CC=C(C(=C1)C(=O)O)[N+](=O)[O-]
Synonym	2-nitrobenzoic acid,o-nitrobenzoic acid,benzoic acid, 2-nitro,2-nitrobenzoicacid,o-carboxynitrobenzene,benzoic acid, o-nitro,nitrobenzoic acid,2-nitro-benzoic acid,ccris 2334,2-nitro benzoic acid
InChI Key	SLAMLWHELXOEJZ-UHFFFAOYSA-N
Molecular Formula	C₇H₅NO₄

3-Nitrophthalic acid, 95%

CAS: 603-11-2 Molecular Formula: C8H5NO6 Molecular Weight (g/mol): 211.129 MDL Number: MFCD00007138 InChI Key: KFIRODWJCYBBHY-UHFFFAOYSA-N Synonym: 3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid PubChem CID: 69043 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O

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PubChem CID	69043
CAS	603-11-2
Molecular Weight (g/mol)	211.129
MDL Number	MFCD00007138
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	3-nitrophthalic acid,3-nitrobenzene-1,2-dicarboxylic acid,phthalic acid, 3-nitro,1,2-benzenedicarboxylic acid, 3-nitro,3-nitro phthalic acid,3-nitro-phthalic acid,3-nitrophthalicacid,nitrophthalic acid,3-nitrophtalic acid,m-nitrophthalic acid
InChI Key	KFIRODWJCYBBHY-UHFFFAOYSA-N
Molecular Formula	C8H5NO6

4-Fluoro-3-nitrobenzoic acid, 98%

CAS: 453-71-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD00007058 InChI Key: BOJWTAQWPVBIPG-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid PubChem CID: 67987 IUPAC Name: 4-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	67987
CAS	453-71-4
Molecular Weight (g/mol)	185.11
MDL Number	MFCD00007058
SMILES	OC(=O)C1=CC=C(F)C(=C1)[N+]([O-])=O
Synonym	4-fluoro-3-nitrobenzoic acid,3-nitro-4-fluorobenzoic acid,p-fluoro-3-nitrobenzoic acid,4-fluoro-3-nitrobenzoicacid,5-carboxy-2-fluoronitrobenzene,benzoic acid, 4-fluoro-3-nitro,4-fluoro-3-nitro-benzoic acid,pubchem1306,acmc-1aqvm,3-nitro-4-flurobenzoic acid
IUPAC Name	4-fluoro-3-nitrobenzoic acid
InChI Key	BOJWTAQWPVBIPG-UHFFFAOYSA-N
Molecular Formula	C7H4FNO4

3,5-Dimethyl-4-nitrobenzoic acid, 97%

CAS: 3095-38-3 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00014699 InChI Key: RBAVFNOGEPCOQI-UHFFFAOYSA-N PubChem CID: 249413 IUPAC Name: 3,5-dimethyl-4-nitrobenzoic acid SMILES: CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O

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Specifications

PubChem CID	249413
CAS	3095-38-3
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00014699
SMILES	CC1=CC(=CC(C)=C1[N+]([O-])=O)C(O)=O
IUPAC Name	3,5-dimethyl-4-nitrobenzoic acid
InChI Key	RBAVFNOGEPCOQI-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

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Nitrobenzoic acids and derivatives

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